SCHEMBL20399732

SCHEMBL20399732

CC(C)(C=CC(=O)O)CC#N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TBXAS1 P24557 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.33
DPP4 P27487 1/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15710432 0.82 MCL1 (0.33) MEN1KMT2ADPP4
SCHEMBL16469656 0.75 TSHR (0.40) KMT2ATBXAS1TSHRTP53EGLN1
SCHEMBL16469655 0.75 TSHR (0.40) KMT2ATBXAS1TSHRTP53EGLN1
SCHEMBL3192914 0.75 TBXAS1 (0.46) TBXAS1TSHRTP53EGLN1EGLN3
SCHEMBL3192910 0.75 TBXAS1 (0.46) TBXAS1TSHRTP53EGLN1EGLN3
SCHEMBL4373237 0.73 TSHR (0.38) TBXAS1TSHRTP53EGLN1EGLN3
SCHEMBL3200011 0.71 TBXAS1 (0.55) TBXAS1TSHRTP53EGLN1EGLN3
SCHEMBL22070965 0.71 HMGCR (0.44) TBXAS1TSHRTP53EGLN1EGLN3
SCHEMBL32684399 0.71 TBXAS1 (0.37) TBXAS1TSHRTP53EGLN1EGLN3
SCHEMBL3204840 0.71 TBXAS1 (0.51) TBXAS1TSHRTP53EGLN1EGLN3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018136401-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2018-07-26 WO disclosed